N-[(3,4-dimethylphenyl)carbamoyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(3,4-dimethylphenyl)carbamoyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(3,4-dimethylphenyl)carbamoyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(3,4-dimethylanilino)-oxomethyl]-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(3,4-dimethylphenyl)carbamoyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(3,4-dimethylphenyl)carbamoyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C20H27N5O2+2 MolecularWeight: 369.46068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)C

InChI

InChI=1S/C20H25N5O2/c1-15-6-7-17(13-16(15)2)22-20(27)23-19(26)14-24-9-11-25(12-10-24)18-5-3-4-8-21-18/h3-8,13H,9-12,14H2,1-2H3,(H2,22,23,26,27)/p+2